BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

85 related articles for article (PubMed ID: 14648614)

  • 21. Efficiency of a second-generation HIV-1 protease inhibitor studied by molecular dynamics and absolute binding free energy calculations.
    Lepsík M; Kríz Z; Havlas Z
    Proteins; 2004 Nov; 57(2):279-93. PubMed ID: 15340915
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Ensemble docking of multiple protein structures: considering protein structural variations in molecular docking.
    Huang SY; Zou X
    Proteins; 2007 Feb; 66(2):399-421. PubMed ID: 17096427
    [TBL] [Abstract][Full Text] [Related]  

  • 23. A strategy for predicting the crystal structures of flexible molecules: the polymorphism of phenobarbital.
    Day GM; S Motherwell WD; Jones W
    Phys Chem Chem Phys; 2007 Apr; 9(14):1693-704. PubMed ID: 17396181
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Prediction of HIV-1 protease inhibitor resistance using a protein-inhibitor flexible docking approach.
    Jenwitheesuk E; Samudrala R
    Antivir Ther; 2005; 10(1):157-66. PubMed ID: 15751773
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Improving amino-acid identification, fit and C(alpha) prediction using the Simplex method in automated model building.
    Romo TD; Sacchettini JC; Ioerger TR
    Acta Crystallogr D Biol Crystallogr; 2006 Nov; 62(Pt 11):1401-6. PubMed ID: 17057345
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Rigid backbone moiety of KNI-272, a highly selective HIV protease inhibitor: methanol, acetone and dimethylsulfoxide solvated forms of 3-[3-benzyl-2-hydroxy-9-(isoquinolin-5-yloxy)-6-methylsulfanylmethyl-5,8-dioxo-4,7-diazanonanoyl]-N-tert-butyl-1,3-thiazolidine-4-carboxamide.
    Doi M; Kimura T; Ishida T; Kiso Y
    Acta Crystallogr B; 2004 Aug; 60(Pt 4):433-7. PubMed ID: 15258401
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Shape signatures: a new approach to computer-aided ligand- and receptor-based drug design.
    Zauhar RJ; Moyna G; Tian L; Li Z; Welsh WJ
    J Med Chem; 2003 Dec; 46(26):5674-90. PubMed ID: 14667221
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors possessing augmented P2' side chains.
    Smith AB; Charnley AK; Harada H; Beiger JJ; Cantin LD; Kenesky CS; Hirschmann R; Munshi S; Olsen DB; Stahlhut MW; Schleif WA; Kuo LC
    Bioorg Med Chem Lett; 2006 Feb; 16(4):859-63. PubMed ID: 16298527
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Alignment of three-dimensional molecules using an image recognition algorithm.
    Richmond NJ; Willett P; Clark RD
    J Mol Graph Model; 2004 Oct; 23(2):199-209. PubMed ID: 15363461
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Lysine sulfonamides as novel HIV-protease inhibitors: Nepsilon-acyl aromatic alpha-amino acids.
    Stranix BR; Lavallée JF; Sévigny G; Yelle J; Perron V; LeBerre N; Herbart D; Wu JJ
    Bioorg Med Chem Lett; 2006 Jul; 16(13):3459-62. PubMed ID: 16644213
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Towards a MIP-based alignment and docking in computer-aided drug design.
    Barbany M; Gutiérrez-de-Terán H; Sanz F; Villà-Freixa J
    Proteins; 2004 Aug; 56(3):585-94. PubMed ID: 15229890
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Recore: a fast and versatile method for scaffold hopping based on small molecule crystal structure conformations.
    Maass P; Schulz-Gasch T; Stahl M; Rarey M
    J Chem Inf Model; 2007; 47(2):390-9. PubMed ID: 17305328
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Discovery of potent HIV-1 protease inhibitors incorporating sulfoximine functionality.
    Lu D; Vince R
    Bioorg Med Chem Lett; 2007 Oct; 17(20):5614-9. PubMed ID: 17822899
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Comparing the conformational behavior of a series of diastereomeric cyclic urea HIV-1 inhibitors using the low mode:monte carlo conformational search method.
    Parish CA; Yarger M; Sinclair K; Dure M; Goldberg A
    J Med Chem; 2004 Sep; 47(20):4838-50. PubMed ID: 15369387
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Adaptive inhibitors of the HIV-1 protease.
    Ohtaka H; Freire E
    Prog Biophys Mol Biol; 2005 Jun; 88(2):193-208. PubMed ID: 15572155
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Protein secondary structure assignment through Voronoï tessellation.
    Dupuis F; Sadoc JF; Mornon JP
    Proteins; 2004 May; 55(3):519-28. PubMed ID: 15103616
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Targeting the open-flap conformation of HIV-1 protease with pyrrolidine-based inhibitors.
    Böttcher J; Blum A; Dörr S; Heine A; Diederich WE; Klebe G
    ChemMedChem; 2008 Sep; 3(9):1337-44. PubMed ID: 18720485
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Linear indices of the "molecular pseudograph's atom adjacency matrix": definition, significance-interpretation, and application to QSAR analysis of flavone derivatives as HIV-1 integrase inhibitors.
    Marrero-Ponce Y
    J Chem Inf Comput Sci; 2004; 44(6):2010-26. PubMed ID: 15554670
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Application of machine learning to improve the results of high-throughput docking against the HIV-1 protease.
    Klon AE; Glick M; Davies JW
    J Chem Inf Comput Sci; 2004; 44(6):2216-24. PubMed ID: 15554692
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Rational design based on bioactive conformation analysis of pyrimidinylbenzoates as acetohydroxyacid synthase inhibitors by integrating molecular docking, CoMFA, CoMSIA, and DFT calculations.
    He YZ; Li YX; Zhu XL; Xi Z; Niu C; Wan J; Zhang L; Yang GF
    J Chem Inf Model; 2007; 47(6):2335-44. PubMed ID: 17887745
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 5.